1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea

C18H19FN4O2 — CID 53235413

IUPAC1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea
SMILESNC1=N[C@@H](CCc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CO1
InChIInChI=1S/C18H19FN4O2/c19-13-4-9-15(10-5-13)23-18(24)22-14-6-1-12(2-7-14)3-8-16-11-25-17(20)21-16/h1-2,4-7,9-10,16H,3,8,11H2,(H2,20,21)(H2,22,23,24)/t16-/m0/s1
InChIKeyWBHMLUADOHOBDB-INIZCTEOSA-N
MW342.37 g/mol
LogP3.12
Rot. Bonds5

About 1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea

1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea (PubChem CID 53235413) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea
PubChem CID53235413
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea
SMILESNC1=N[C@@H](CCc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CO1
InChIInChI=1S/C18H19FN4O2/c19-13-4-9-15(10-5-13)23-18(24)22-14-6-1-12(2-7-14)3-8-16-11-25-17(20)21-16/h1-2,4-7,9-10,16H,3,8,11H2,(H2,20,21)(H2,22,23,24)/t16-/m0/s1
InChIKeyWBHMLUADOHOBDB-INIZCTEOSA-N
XLogP3.12
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(3-chlorophenyl)urea;1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea
CID 158052745
1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea
CID 67156315
1-[4-[4-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)butyl]phenyl]-3-(4-chlorophenyl)urea
CID 77233028
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3,5-difluoropyridine-2-carboxamide
CID 53235485
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-6-chloro-3-fluoropyridine-2-carboxamide
CID 76747740
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide
CID 76747754
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide
CID 58256334
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 67151584
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
CID 53234386
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-(6-bromo-2-pyridinyl)-2,2-difluoroacetamide
CID 58256359
1H-benzimidazol-2-yl N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]carbamate
CID 118413111
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 58256317

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea (CID 53235413) is 1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea is NC1=N[C@@H](CCc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CO1.
What is the InChIKey of 1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea?
The InChIKey is WBHMLUADOHOBDB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-13-4-9-15(10-5-13)23-18(24)22-14-6-1-12(2-7-14)3-8-16-11-25-17(20)21-16/h1-2,4-7,9-10,16H,3,8,11H2,(H2,20,21)(H2,22,23,24)/t16-/m0/s1.
What are the key properties of 1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea?
1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea has a molecular weight of 342.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 53235413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).